Information card for entry 2218756

Structure parameters

• Chemical name: Bis[2-phenyl-1-(phenyliminio)isoindoline] di-μ-chlorido-bis[dichloridopalladate(II)] benzene disolvate
• Formula: C52 H46 Cl6 N4 Pd2
• Calculated formula: C52 H46 Cl6 N4 Pd2
• SMILES: C1(c2ccccc2CN1c1ccccc1)=[NH+]c1ccccc1.c1ccccc1.Cl[Pd]1(Cl)[Cl][Pd](Cl)(Cl)[Cl]1.C1(c2ccccc2CN1c1ccccc1)=[NH+]c1ccccc1.c1ccccc1
• Title of publication: Bis[2-phenyl-1-(phenyliminio)isoindoline] di-μ-chlorido-bis[dichloridopalladate(II)] benzene disolvate
• Authors of publication: Chitanda, Jackson M.; Quail, J. Wilson; Foley, Stephen R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m907 - m908
• a: 9.5457 ± 0.0003 Å
• b: 9.9754 ± 0.0003 Å
• c: 14.8002 ± 0.0005 Å
• α: 74.27 ± 0.002°
• β: 80.615 ± 0.002°
• γ: 63.228 ± 0.002°
• Cell volume: 1209.74 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes